4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide

C16H19N3O2 — CID 59304332

IUPAC4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-15(21)19(10-9-17-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyHASDDAQLMFOFLI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds3

About 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide

4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide (PubChem CID 59304332) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
PubChem CID59304332
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-15(21)19(10-9-17-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyHASDDAQLMFOFLI-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
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N-tert-butylisoquinoline-1-carboxamide
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N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
2-[[N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
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1-benzyl-2-methylimidazole
CID 158634472
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
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2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid
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CID 110025568

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide (CID 59304332) is 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide is CC(C)(C)NC(=O)c1nccn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide?
The InChIKey is HASDDAQLMFOFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-15(21)19(10-9-17-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20).
What are the key properties of 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide?
4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 59304332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).